含缺陷双层石墨烯的纳米压痕模拟研究力学学报.PDFVIP

48 4 Vol. 48 No. 4 2016 7 Chinese Journal of Theoretical and Applied Mechanics July2016 1) 2) (710055) . . . Terso C—C Lernnard- -Jones Lernnard--Jones -- . Stone--Thrower--Wales() . . . . . TB332 A doi 101879-15-427 NUMERICAL STUDY ON NANOINDENTATION OF DEFECTIVE BILAYER GRAPHENE 1) Hua Jun2) Wu Xiaxia Duan Zhirong (Department of Mechanics School of Science Xi’an University of Architecture TechnologyXi’an 710055 China) Abstract Comparing with pristine graphene, graphene with various defects produced by the current technology still has a certain application value. Therefore it is necessary to investigate the influence of defects on graphene properties. In this paper, interaction between carbon atoms that forms the covalent bonds of graphene is modeled with Terso potential, the long range interactions of carbon atoms are characterized by Lennard-Jones potential. The nanoindentation of spherical diamond indenter into defective bilayer graphene is studied by molecular dynamics simulations. The Lernnard-Jones potential function optimal value of cut-o radius is discussed and typical load-depth curves are obtained. The eects including Stone-Thrower-Wales (STW) defect, vacancy (single and double vacancy defects) and hole defect in dierent positions and numbers on the mechanical properties of graphene are studied. The results show that when defect is in the film’s center, it makes intensity decrease significantly; when vacancy defect is in the region covered by indenter, the critical load increases linearly with the increase of distance which is from the defect to the film’s cent